1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine

C17H27NS — CID 63537922

IUPAC1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(SC2CCCC(C)C2)C(C)N)cc1
InChIInChI=1S/C17H27NS/c1-12-7-9-15(10-8-12)17(14(3)18)19-16-6-4-5-13(2)11-16/h7-10,13-14,16-17H,4-6,11,18H2,1-3H3
InChIKeyVOBIWRNRRMIIAT-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.70
Rot. Bonds4

About 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine

1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine (PubChem CID 63537922) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
PubChem CID63537922
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC Name1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
SMILESCc1ccc(C(SC2CCCC(C)C2)C(C)N)cc1
InChIInChI=1S/C17H27NS/c1-12-7-9-15(10-8-12)17(14(3)18)19-16-6-4-5-13(2)11-16/h7-10,13-14,16-17H,4-6,11,18H2,1-3H3
InChIKeyVOBIWRNRRMIIAT-UHFFFAOYSA-N
XLogP4.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
CID 55111836
1-(4-chlorophenyl)-1-cyclopentylsulfanylpropan-2-amine
CID 55176547
2-(3-methylcyclohexyl)sulfanyl-2-phenylethanamine
CID 62721341
N-[2-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64633385
[(3-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105194279
3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
CID 62778890
2-amino-N-(3-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667211
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333
1-cyclohexylsulfanyl-1-(2-methylphenyl)propan-2-amine
CID 55019210
1-(3,4-difluorophenyl)-2-(3-methylcyclohexyl)sulfanylethanamine
CID 107525018
5-methyl-2-(3-methylcyclohexyl)sulfanylbenzonitrile
CID 114017354
1-cyclopentylsulfanyl-1-(3-methylthiophen-2-yl)propan-2-amine
CID 63115022

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine (CID 63537922) is 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine is Cc1ccc(C(SC2CCCC(C)C2)C(C)N)cc1.
What is the InChIKey of 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine?
The InChIKey is VOBIWRNRRMIIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-12-7-9-15(10-8-12)17(14(3)18)19-16-6-4-5-13(2)11-16/h7-10,13-14,16-17H,4-6,11,18H2,1-3H3.
What are the key properties of 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine?
1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine has a molecular weight of 277.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 63537922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).